(4Z)-4-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[1-(4-iodophenyl)pyrrol-2-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[1-(4-iodophenyl)-2-pyrrolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[[1-(4-iodophenyl)pyrrol-2-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H16IN3O MolecularWeight: 453.27571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CN2C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CN2C3=CC=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C21H16IN3O/c1-15-20(21(26)25(23-15)18-6-3-2-4-7-18)14-19-8-5-13-24(19)17-11-9-16(22)10-12-17/h2-14H,1H3/b20-14-